Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e16c6a251c0aed7a38b1b9b85e5ce2f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 154.430,
"b": 162.534,
"c": 158.678,
"alpha": 90.00,
"beta": 95.04,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.860,1.760],
"number_observations": 1405606,
"number_observations_unique": 381768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.760],
"number_observations": 68052,
"number_observations_unique": 19030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.657
},
{
"type": "R(pim)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
{
"resolution_limits": [47.860,9.640],
"number_observations": 7992,
"number_observations_unique": 2285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 33.100
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}